Crystallography Open Database

Information card for entry 1552956

Preview

Coordinates	1552956.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Iron gallate hydrate
Chemical name	Iron gallate tri-hydrate
Formula	C7 H9.37 Fe O8.18
Calculated formula	C7 H3 Fe O8.173
Title of publication	Elucidation of the Fe(III) Gallate Structure in Historical Iron Gall Ink.
Authors of publication	Ponce, Aldo; Brostoff, Lynn B.; Gibbons, Sarah K.; Zavalij, Peter; Viragh, Carol; Hooper, Joseph; Alnemrat, Sufian; Gaskell, Karen J.; Eichhorn, Bryan
Journal of publication	Analytical chemistry
Year of publication	2016
Journal volume	88
Journal issue	10
Pages of publication	5152 - 5158
a	8.7445 ± 0.0016 Å
b	8.7445 ± 0.0016 Å
c	10.935 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	724.1 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.043
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0587
Weighted residual factors for all reflections included in the refinement	0.0621
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
231207 (current)	2019-11-22	cif/ Adding structures of 1552956 via cif-deposit CGI script.	1552956.cif